Geometry & MOs

Info

ID:	183979
PubChem CID:	77098832
Reduced:	SN2O2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	383.95712
ΔH_f, kcal/mol:	18.05
Dipole, Da:	7.94
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-difluoro-4-(4-iodophenyl)-4H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)C=C(C3=CC=CS3)C(=O)O

DOS

IR

Vibrations